disodium 4-[[(4-sulfonatophenyl)carbamothioyldisulfanyl]carbothioylamino]benzenesulfonate

Systemtic Name: disodium 4-[[(4-sulfonatophenyl)carbamothioyldisulfanyl]carbothioylamino]benzenesulfonate Openeye Name: disodium 4-[[(4-sulfonatophenyl)carbamothioyldisulfanyl]carbothioylamino]benzenesulfonate CAS Name: disodium 4-[[sulfanylidene-[[sulfanylidene-(4-sulfonatoanilino)methyl]disulfanyl]methyl]amino]benzenesulfonate IUPAC Name: disodium 4-[[(4-sulfonatophenyl)carbamothioyldisulfanyl]carbothioylamino]benzenesulfonate Traditional Name: disodium 4-[[(4-sulfonatophenyl)thiocarbamoyldisulfanyl]carbothioylamino]besylate Formula: C14H10N2Na2O6S6 MolecularWeight: 540.60854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)SSC(=S)NC2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)SSC(=S)NC2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H12N2O6S6.2Na/c17-27(18,19)11-5-1-9(2-6-11)15-13(23)25-26-14(24)16-10-3-7-12(8-4-10)28(20,21)22;;/h1-8H,(H,15,23)(H,16,24)(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2